UCSF

ZINC39230388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 Yes

Popular Name: [(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-(1,4-diazepan-1-yl)-3-pyridyl]methanone [(4aS,8aS)-3,4,4a,5,6,7,8,8a-oct…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 9.57 -39.75 2 5 1 53 343.495 2 ↓
Lo Low (pH 4.5-6) 1.80 10.09 -103.49 3 5 2 54 344.503 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )